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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Farnesyl pyrophosphate synthase' and Ligand = 'BDBM50467273'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50467273
PNG
(CHEMBL4283512)
Show SMILES OC(CNc1ncccn1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C6H11N3O7P2/c10-6(17(11,12)13,18(14,15)16)4-9-5-7-2-1-3-8-5/h1-3,10H,4H2,(H,7,8,9)(H2,11,12,13)(H2,14,15,16)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



University of Bari "A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged FPPS expressed in Escherichia coli BL21 using DMAPP and IPP as substrates pretreated for 15 mi...


Eur J Med Chem 158: 184-200 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.044
BindingDB Entry DOI: 10.7270/Q2MS3WFV
More data for this
Ligand-Target Pair